EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175800 - rac-5,6-Epoxy-retinoyl-beta-D-glucuronide

Default Structure
ChEBI IDCHEBI:175800
ChEBI Namerac-5,6-Epoxy-retinoyl-beta-D-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O9
Net Charge0
Average Mass492.565
Monoisotopic Mass492.23593
SMILESCC(/C=C/[C@]12O[C@]1(C)CCCC2(C)C)=C\C=C\C(C)=C\C(=O)O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C26H36O9/c1-15(10-13-26-24(3,4)11-7-12-25(26,5)35-26)8-6-9-16(2)14-17(27)33-23-20(30)18(28)19(29)21(34-23)22(31)32/h6,8-10,13-14,18-21,23,28-30H,7,11-12H2,1-5H3,(H,31,32)/b9-6+,13-10+,15-8+,16-14+/t18-,19+,20-,21-,23-,25-,26-/m1/s1
InChIKeyBZPOQLONXBJGAZ-XSHYMXFSSA-N
ChEBI Ontology
Outgoing Relation(s)
rac-5,6-Epoxy-retinoyl-beta-D-glucuronide (CHEBI:175800) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2R,3S,4R,5R,6S)-6-[(2E,4E,6E,8E)-3,7-dimethyl-9-[(1R,6R)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
30778543ChemSpider
HMDB0060123HMDB